9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

C105H76F17N27O2 — CID 163859838

IUPAC9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESCN1CCN(Cc2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2C(F)(F)F)CC1.FC(F)(F)c1[nH]ncc1-c1cc(-c2ccccc2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1.Fc1cccc(Nc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1.Fc1cccc(Oc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1
InChIInChI=1S/C28H29F3N6O.C20H12F4N6.C20H11F4N5O.C20H12F3N5.C17H12F3N5/c1-36-10-12-37(13-11-36)16-17-6-7-18(14-22(17)28(29,30)31)33-27(38)26-20-5-3-2-4-19(20)25-21-15-32-35-23(21)8-9-24(25)34-26;21-10-2-1-3-11(6-10)27-17-7-16(13-9-26-30-19(13)20(22,23)24)28-15-5-4-14-12(18(15)17)8-25-29-14;21-10-2-1-3-11(6-10)30-17-7-16(13-9-26-29-19(13)20(22,23)24)27-15-5-4-14-12(18(15)17)8-25-28-14;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,32,35)(H,33,38);1-9H,(H,25,29)(H,26,30)(H,27,28);1-9H,(H,25,28)(H,26,29);1-10H,(H,24,27)(H,25,28);3-8H,1-2H2,(H,21,24)(H,22,25)
InChIKeyPBNDLOJYMSGDCZ-UHFFFAOYSA-N
MW2070.92 g/mol
LogP25.45
Rot. Bonds14

About 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (PubChem CID 163859838) has the molecular formula C105H76F17N27O2 and a molecular weight of 2070.92 g/mol. Its IUPAC name is 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
PubChem CID163859838
Molecular FormulaC105H76F17N27O2
Molecular Weight2070.92 g/mol
Exact Mass2069.64
IUPAC Name9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESCN1CCN(Cc2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2C(F)(F)F)CC1.FC(F)(F)c1[nH]ncc1-c1cc(-c2ccccc2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1.Fc1cccc(Nc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1.Fc1cccc(Oc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1
InChIInChI=1S/C28H29F3N6O.C20H12F4N6.C20H11F4N5O.C20H12F3N5.C17H12F3N5/c1-36-10-12-37(13-11-36)16-17-6-7-18(14-22(17)28(29,30)31)33-27(38)26-20-5-3-2-4-19(20)25-21-15-32-35-23(21)8-9-24(25)34-26;21-10-2-1-3-11(6-10)27-17-7-16(13-9-26-30-19(13)20(22,23)24)28-15-5-4-14-12(18(15)17)8-25-29-14;21-10-2-1-3-11(6-10)30-17-7-16(13-9-26-29-19(13)20(22,23)24)27-15-5-4-14-12(18(15)17)8-25-28-14;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,32,35)(H,33,38);1-9H,(H,25,29)(H,26,30)(H,27,28);1-9H,(H,25,28)(H,26,29);1-10H,(H,24,27)(H,25,28);3-8H,1-2H2,(H,21,24)(H,22,25)
InChIKeyPBNDLOJYMSGDCZ-UHFFFAOYSA-N
XLogP25.45
TPSA379.41 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.92
LogP ≤ 525.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (CID 163859838) is 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is CN1CCN(Cc2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2C(F)(F)F)CC1.FC(F)(F)c1[nH]ncc1-c1cc(-c2ccccc2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1.Fc1cccc(Nc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1.Fc1cccc(Oc2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)c1.
What is the InChIKey of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is PBNDLOJYMSGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O.C20H12F4N6.C20H11F4N5O.C20H12F3N5.C17H12F3N5/c1-36-10-12-37(13-11-36)16-17-6-7-18(14-22(17)28(29,30)31)33-27(38)26-20-5-3-2-4-19(20)25-21-15-32-35-23(21)8-9-24(25)34-26;21-10-2-1-3-11(6-10)27-17-7-16(13-9-26-30-19(13)20(22,23)24)28-15-5-4-14-12(18(15)17)8-25-29-14;21-10-2-1-3-11(6-10)30-17-7-16(13-9-26-29-19(13)20(22,23)24)27-15-5-4-14-12(18(15)17)8-25-28-14;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,32,35)(H,33,38);1-9H,(H,25,29)(H,26,30)(H,27,28);1-9H,(H,25,28)(H,26,29);1-10H,(H,24,27)(H,25,28);3-8H,1-2H2,(H,21,24)(H,22,25).
What are the key properties of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 2070.92 g/mol, XLogP of 25.45, 14 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;9-(3-fluorophenoxy)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-amine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;9-phenyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 163859838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).